Vitas-M small molecule compound

3-[(2-chlorobenzyl)sulfanyl]-5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine

Catalog ID
STK551959
SMILES CCc1nc2sc3c(c2c2n1c(SCc1ccccc1Cl)nn2)CC(OC3)(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C21H21ClN4OS2 MW 445.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4OS2/c1-4-16-23-19-17(13-9-21(2,3)27-10-15(13)29-19)18-24-25-20(26(16)18)28-11-12-7-5-6-8-14(12)22/h5-8H,4,9-11H2,1-3H3
InChIKey
XTBMBQWHFBQWPQ-UHFFFAOYSA-N
Synonyms
799798-64-4
3((2chlorobenzyl)sulfanyl)5ethyl1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidine
3((2chlorobenzyl)thio)5ethyl1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidine
799798644
CCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N14)SCC5=CC=CC=C5Cl
InChI=1SC21H21ClN4OS2c1416231917(13921(23)271015(13)2919)18242520(26(16)18)281112756814(12)22h58H4911H213H3
MFCD03677664
ZINC000002221443
ZINC02221443
ZINC2221443

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Available files

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